Materials Data on CsBeF3 by Materials Project

doi:10.17188/1188668

Title: Materials Data on CsBeF3 by Materials Project

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Abstract

CsBeF3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Cs–F bond distances ranging from 3.02–3.49 Å. Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.53–1.62 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Cs1+ and two equivalent Be2+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to three equivalent Cs1+ and one Be2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-12262

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; CsBeF3; Be-Cs-F

OSTI Identifier:: 1188668

DOI:: https://doi.org/10.17188/1188668

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                    The Materials Project. Materials Data on CsBeF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188668.

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                    The Materials Project. Materials Data on CsBeF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188668

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                    The Materials Project. 2020.  
"Materials Data on CsBeF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188668.  https://www.osti.gov/servlets/purl/1188668. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1188668,

  title        = {Materials Data on CsBeF3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsBeF3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Cs–F bond distances ranging from 3.02–3.49 Å. Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.53–1.62 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Cs1+ and two equivalent Be2+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to three equivalent Cs1+ and one Be2+ atom.},

  doi          = {10.17188/1188668},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1188668

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